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Information card for entry 1518875
Preview
| Coordinates | 1518875.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H84 N0 O26 Zn8 |
|---|---|
| Calculated formula | C42 H84 O26 Zn8 |
| SMILES | [Zn]1234[O]5[Zn]678[O]([O]1[Zn]19%10[O]([Zn]%11%12%13[O]=C(O[Zn]%14([O]=C(O3)CC)[O]4%11[Zn]3([O]5C(C)(C)C)([O]([Zn]4([O]%12[O]9C(C)(C)C)([O]([O]63)C(C)(C)C)[O]=C(O[Zn]([O]=C(O1)CC)(OC(=[O]7)CC)[O]8%104)CC)[O]%13C(C)(C)C)[O]=C(O%14)CC)CC)[O]2C(C)(C)C)C(C)(C)C |
| Title of publication | Development of zinc alkyl/air systems as radical initiators for organic reactions |
| Authors of publication | Kubisiak, Marcin; Zelga, Karolina; Bury, Wojciech; Justyniak, Iwona; Budny-Godlewski, Krzysztof; Ochal, Zbigniew; Lewiński, Janusz |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 5 |
| Pages of publication | 3102 |
| a | 22.502 ± 0.002 Å |
| b | 12.882 ± 0.0012 Å |
| c | 21.773 ± 0.0014 Å |
| α | 90° |
| β | 98.995 ± 0.005° |
| γ | 90° |
| Cell volume | 6233.7 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1605 |
| Residual factor for significantly intense reflections | 0.0956 |
| Weighted residual factors for significantly intense reflections | 0.191 |
| Weighted residual factors for all reflections included in the refinement | 0.2492 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.132 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518875.cif |
| 138491 | 2015-06-07 | cif/ Updating files of 1518875, 1518876 Original log message: Adding full bibliography for 1518875--1518876.cif. |
1518875.cif |
| 134169 | 2015-03-20 | cif/ Adding structures of 1518875, 1518876 via cif-deposit CGI script. |
1518875.cif |
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